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https://www.readbyqxmd.com/read/29766716/pick-a-color-maria-adaptive-sampling-enables-the-rapid-identification-of-complex-perovskite-nanocrystal-compositions-with-defined-emission-characteristics
#1
Leonard Bezinge, Richard M Maceiczyk, Ioannis Lignos, Maksym V Kovalenko, Andrew J deMello
Recent advances in the development of hybrid organic-inorganic lead halide perovskite (LHP) nanocrystals (NCs) have demonstrated their versatility and potential application as photovoltaics and light emitters through compositional tuning of optical properties. That said, due to their compositional complexity, the targeted synthesis of mixed-cation, mixed-halide LHP NCs still represents an immense challenge for traditional batch scale chemistry. To address this limitation, we herein report the integration of a high-throughput segmented-flow microfluidic reactor and self-optimizing algorithm for the synthesis of nanocrystals with defined emission properties...
May 16, 2018: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/29719694/detection-of-antimicrobial-resistance-associated-proteins-by-titanium-dioxide-facilitated-intact-bacteria-mass-spectrometry
#2
Yingdi Zhu, Natalia Gasilova, Milica Jović, Liang Qiao, Baohong Liu, Lysiane Tissières Lovey, Horst Pick, Hubert H Girault
Titanium dioxide-modified target plates were developed to enhance intact bacteria analysis by matrix-assisted laser desorption/ionization time-of-flight mass spectrometry. The plates were designed to photocatalytically destroy the bacterial envelope structure and improve the ionization efficiency of intracellular components, thereby promoting the measurable mass range and the achievable detection sensitivity. Accordingly, a method for rapid detection of antimicrobial resistance-associated proteins, conferring bacterial resistance against antimicrobial drugs, was established by mass spectrometric fingerprinting of intact bacteria without the need for any sample pre-treatment...
February 28, 2018: Chemical Science
https://www.readbyqxmd.com/read/29715302/modeling-an-enhanced-ridesharing-system-with-meet-points-and-time-windows
#3
Xin Li, Sangen Hu, Wenbo Fan, Kai Deng
With the rising of e-hailing services in urban areas, ride sharing is becoming a common mode of transportation. This paper presents a mathematical model to design an enhanced ridesharing system with meet points and users' preferable time windows. The introduction of meet points allows ridesharing operators to trade off the benefits of saving en-route delays and the cost of additional walking for some passengers to be collectively picked up or dropped off. This extension to the traditional door-to-door ridesharing problem brings more operation flexibility in urban areas (where potential requests may be densely distributed in neighborhood), and thus could achieve better system performance in terms of reducing the total travel time and increasing the served passengers...
2018: PloS One
https://www.readbyqxmd.com/read/29679959/uptake-of-methanol-on-mixed-hno-3-h-2-o-clusters-an-absolute-pickup-cross-section
#4
A Pysanenko, J Lengyel, M Fárník
The uptake of atmospheric oxidized organics on acid clusters is relevant for atmospheric new particle formation. We investigate the pickup of methanol (CH3 OH) on mixed nitric acid-water clusters (HNO3 )M (H2 O)N by a combination of mass spectrometry and cluster velocity measurements in a molecular beam. The mass spectra of the mixed clusters exhibit (HNO3 )m (H2 O)n H+ series with m = 0-3 and n = 0-12. In addition, CH3 OH·(HNO3 )m (H2 O)n H+ series with very similar patterns appear in the spectra after the methanol pickup...
April 21, 2018: Journal of Chemical Physics
https://www.readbyqxmd.com/read/29621971/linear-maldi-tof-simultaneous-spectrum-deconvolution-and-baseline-removal
#5
Vincent Picaud, Jean-Francois Giovannelli, Caroline Truntzer, Jean-Philippe Charrier, Audrey Giremus, Pierre Grangeat, Catherine Mercier
BACKGROUND: Thanks to a reasonable cost and simple sample preparation procedure, linear MALDI-ToF spectrometry is a growing technology for clinical microbiology. With appropriate spectrum databases, this technology can be used for early identification of pathogens in body fluids. However, due to the low resolution of linear MALDI-ToF instruments, robust and accurate peak picking remains a challenging task. In this context we propose a new peak extraction algorithm from raw spectrum. With this method the spectrum baseline and spectrum peaks are processed jointly...
April 5, 2018: BMC Bioinformatics
https://www.readbyqxmd.com/read/29615975/daytime-variation-in-serum-progesterone-during-the-mid-luteal-phase-in-women-undergoing-in-vitro-fertilization-treatment
#6
Lise Haaber Thomsen, Ulrik Schiøler Kesmodel, Claus Yding Andersen, Peter Humaidan
Objective: To investigate whether mid-luteal serum progesterone (P4 ) exhibits significant fluctuations during a 12-h daytime period in women undergoing in vitro fertilization (IVF) and to explore whether the extent of these fluctuations could impact the interpretation of luteal progesterone levels in a clinical setting. Design: Explorative pilot study. Setting: Public hospital-based fertility unit. Patients: Ten women undergoing IVF treatment...
2018: Frontiers in Endocrinology
https://www.readbyqxmd.com/read/29615495/software-for-peak-finding-and-elemental-composition-assignment-for-glycosaminoglycan-tandem-mass-spectra
#7
John D Hogan, Joshua A Klein, Jiandong Wu, Pradeep Chopra, Geert-Jan Boons, Luis Carvalho, Cheng Lin, Joseph Zaia
Glycosaminoglycans (GAGs) covalently linked to proteoglycans (PGs) are characterized by repeating disaccharide units and variable sulfation patterns along the chain. GAG length and sulfation patterns impact disease etiology, cellular signaling, and structural support for cells. We and others have demonstrated the usefulness of tandem mass spectrometry (MS2) for assigning the structures of GAG saccharides; however, manual interpretation of tandem mass spectra is time-consuming, so computational methods must be employed...
April 3, 2018: Molecular & Cellular Proteomics: MCP
https://www.readbyqxmd.com/read/29583026/a-new-method-of-onset-and-offset-detection-in-ensemble-singing
#8
Sara D'Amario, Helena Daffern, Freya Bailes
This paper presents a novel method combining electrolaryngography and acoustic analysis to detect the onset and offset of phonation as well as the beginning and ending of notes within a sung legato phrase, through the application of a peak-picking algorithm, TIMEX. The evaluation of the method applied to a set of singing duo recordings shows an overall performance of 78% within a tolerance window of 50 ms compared with manual annotations performed by three experts. Results seem very promising in light of the state-of-the-art techniques presented at MIREX in 2016 yielding an overall performance of around 60%...
March 27, 2018: Logopedics, Phoniatrics, Vocology
https://www.readbyqxmd.com/read/29547986/nmrnet-a-deep-learning-approach-to-automated-peak-picking-of-protein-nmr-spectra
#9
Piotr Klukowski, Michal Augoff, Maciej Zieba, Maciej Drwal, Adam Gonczarek, Michal J Walczak
Motivation: Automated selection of signals in protein NMR spectra, known as peak picking, has been studied for over 20 years, nevertheless existing peak picking methods are still largely deficient. Accurate and precise automated peak picking would accelerate the structure calculation, and analysis of dynamics and interactions of macromolecules. Recent advancement in handling big data, together with an outburst of machine learning techniques, offer an opportunity to tackle the peak picking problem substantially faster than manual picking and on par with human accuracy...
March 14, 2018: Bioinformatics
https://www.readbyqxmd.com/read/29494588/speaq-2-0-a-complete-workflow-for-high-throughput-1d-nmr-spectra-processing-and-quantification
#10
Charlie Beirnaert, Pieter Meysman, Trung Nghia Vu, Nina Hermans, Sandra Apers, Luc Pieters, Adrian Covaci, Kris Laukens
Nuclear Magnetic Resonance (NMR) spectroscopy is, together with liquid chromatography-mass spectrometry (LC-MS), the most established platform to perform metabolomics. In contrast to LC-MS however, NMR data is predominantly being processed with commercial software. Meanwhile its data processing remains tedious and dependent on user interventions. As a follow-up to speaq, a previously released workflow for NMR spectral alignment and quantitation, we present speaq 2.0. This completely revised framework to automatically analyze 1D NMR spectra uses wavelets to efficiently summarize the raw spectra with minimal information loss or user interaction...
March 2018: PLoS Computational Biology
https://www.readbyqxmd.com/read/29442431/elution-extrusion-countercurrent-chromatography-separation-of-six-pairs-of-isomeric-iridoids-from-cornus-officinalis-sieb-et-zucc-guided-by-ion-current-extraction-in-mass-spectrometry
#11
Jinru Liang, Wenji Sun
A mass spectrometry-guided elution-extrusion countercurrent chromatography protocol was developed to separate chemical components from Cornus officinalis Sieb. et Zucc. In this study, ion current extraction, a mass spectrometry-based data postacquisition method, was utilized to boost the separation power and scope of countercurrent chromatography technique. As a peak repicking and denoising tool, ion current extraction was carried out to process the liquid chromatography with mass spectrometry and the countercurrent chromatography with mass spectrometry data...
February 14, 2018: Journal of Separation Science
https://www.readbyqxmd.com/read/29367433/n-glycome-of-the-lysosomal-glycocalyx-is-altered-in-niemann-pick-type-c-disease-model-cells
#12
Marko Kosicek, Ivan Gudelj, Anita Horvatic, Tanja Jovic, Frano Vuckovic, Gordan Lauc, Silva Hecimovic
Increasing evidence implicates lysosomal dysfunction in the pathogenesis of neurodegenerative diseases, including the rare inherited lysosomal storage disorders (LSDs) and the most common neurodegenerative diseases, such as Alzheimer's and Parkinson's disease (AD and PD). While the triggers of the lysosomal impairment may involve the accumulated macromolecules or dysfunction of the lysosomal enzymes, the role of the lysosomal glycocalyx in the lysosomal (dys)function has not been studied. The goal of this work was to analyze whether there are changes in the lysosomal glycocalyx in a cellular model of a LSD Niemann-Pick type C disease (NPC)...
January 24, 2018: Molecular & Cellular Proteomics: MCP
https://www.readbyqxmd.com/read/29356304/fast-image-based-mitral-valve-simulation-from-individualized-geometry
#13
Pierre-Frederic Villard, Peter E Hammer, Douglas P Perrin, Pedro J Del Nido, Robert D Howe
BACKGROUND: Common surgical procedures on the mitral valve of the heart include modifications to the chordae tendineae. Such interventions are used when there is extensive leaflet prolapse caused by chordae rupture or elongation. Understanding the role of individual chordae tendineae before operating could be helpful to predict whether the mitral valve will be competent at peak systole. Biomechanical modelling and simulation can achieve this goal. METHODS: We present a method to semi-automatically build a computational model of a mitral valve from micro CT (computed tomography) scans: after manually picking chordae fiducial points, the leaflets are segmented and the boundary conditions as well as the loading conditions are automatically defined...
April 2018: International Journal of Medical Robotics + Computer Assisted Surgery: MRCAS
https://www.readbyqxmd.com/read/29354005/-in-vivo-assessment-of-neurodegeneration-in-type-c-niemann-pick-disease-by-ideal-iq
#14
Ruo-Mi Guo, Qing-Ling Li, Zhong-Xing Luo, Wen Tang, Ju Jiao, Jin Wang, Zhuang Kang, Shao-Qiong Chen, Yong Zhang
Objective: To noninvasively assess the neurodegenerative changes in the brain of patients with Niemann-Pick type C (NPC) disease by measuring the lesion tissue with the iterative decomposition of water and fat with echo asymmetry and least square estimation-iron quantification (IDEAL-IQ). Materials and Methods: Routine brain MRI, IDEAL-IQ and 1 H-proton magnetic resonance spectroscopy (1 H-MRS, served as control) were performed on 12 patients with type C Niemann-Pick disease (4 males and 8 females; age range, 15-61 years; mean age, 36 years) and 20 healthy subjects (10 males and 10 females; age range, 20-65 years; mean age, 38 years)...
January 2018: Korean Journal of Radiology: Official Journal of the Korean Radiological Society
https://www.readbyqxmd.com/read/29327192/towards-a-better-control-of-the-wastewater-treatment-process-excitation-emission-matrix-fluorescence-spectroscopy-of-dissolved-organic-matter-as-a-predictive-tool-of-soluble-bod-5-in-influents-of-six-parisian-wastewater-treatment-plants
#15
Angélique Goffin, Sabrina Guérin, Vincent Rocher, Gilles Varrault
The online monitoring of dissolved organic matter (DOM) in raw sewage water is expected to better control wastewater treatment processes. Fluorescence spectroscopy offers one possibility for both the online and real-time monitoring of DOM, especially as regards the DOM biodegradability assessment. In this study, three-dimensional fluorescence spectroscopy combined with a parallel factor analysis (PARAFAC) has been investigated as a predictive tool of the soluble biological oxygen demand in 5 days (BOD5 ) for raw sewage water...
March 2018: Environmental Science and Pollution Research International
https://www.readbyqxmd.com/read/29311541/yolk-sac-macrophage-progenitors-traffic-to-the-embryo-during-defined-stages-of-development
#16
C Stremmel, R Schuchert, F Wagner, R Thaler, T Weinberger, R Pick, E Mass, H C Ishikawa-Ankerhold, A Margraf, S Hutter, R Vagnozzi, S Klapproth, J Frampton, S Yona, C Scheiermann, J D Molkentin, U Jeschke, M Moser, M Sperandio, S Massberg, F Geissmann, C Schulz
Tissue macrophages in many adult organs originate from yolk sac (YS) progenitors, which invade the developing embryo and persist by means of local self-renewal. However, the route and characteristics of YS macrophage trafficking during embryogenesis are incompletely understood. Here we show the early migration dynamics of YS-derived macrophage progenitors in vivo using fate mapping and intravital microscopy. From embryonic day 8.5 (E8.5) CX3 CR1+ pre-macrophages are present in the mouse YS where they rapidly proliferate and gain access to the bloodstream to migrate towards the embryo...
January 8, 2018: Nature Communications
https://www.readbyqxmd.com/read/29216122/delay-line-coherent-pulse-stacking
#17
Henrik Tünnermann, Akira Shirakawa
Ultrafast fiber amplifiers are usually limited in terms of pulse energy and peak power due to fiber damage and nonlinearities. On the other hand, fiber amplifiers are very energy efficient. To take advantage of this efficiency, but still scale the pulse energy, coherent combining and pulse stacking have become the method of choice. Here we show how to directly and symmetrically stack up the pulses from an oscillator chain, using delay lines and phase preshaping of a 48 MHz, 1.5 μm master oscillator. This method avoids the need for high-power low-loss dumpers as in passive stack and dump cavities and, compared to divided pulse amplification (DPA), it eliminates the need for splitting pulses and pulse picking and, thus, optimally utilizes the available seed power...
December 1, 2017: Optics Letters
https://www.readbyqxmd.com/read/29191430/oculomotor-abnormalities-in-children-with-niemann-pick-type-c
#18
James Blundell, Steven Frisson, Anupam Chakrapani, Paul Gissen, Chris Hendriksz, Suresh Vijay, Andrew Olson
Niemann-Pick type C (NP-C) is a rare recessive disorder associated with progressive supranuclear gaze palsy. Degeneration occurs initially for vertical saccades and later for horizontal saccades. There are studies of oculomotor degeneration in adult NP-C patients [1, 2] but no comparable studies in children. We used high-resolution video-based eye tracking to record monocular vertical and horizontal eye movements in 2 neurological NP-C patients (children with clinically observable oculomotor abnormalities) and 3 pre-neurological NP-C patients (children without clinically observable oculomotor abnormalities)...
February 2018: Molecular Genetics and Metabolism
https://www.readbyqxmd.com/read/29183128/performance-evaluation-of-the-q-exactive-hf-x-for-shotgun-proteomics
#19
Christian D Kelstrup, Dorte B Bekker-Jensen, Tabiwang N Arrey, Alexander Hogrebe, Alexander Harder, Jesper V Olsen
Progress in proteomics is mainly driven by advances in mass spectrometric (MS) technologies. Here we benchmarked the performance of the latest MS instrument in the benchtop Orbitrap series, the Q Exactive HF-X, against its predecessor for proteomics applications. A new peak-picking algorithm, a brighter ion source, and optimized ion transfers enable productive MS/MS acquisition above 40 Hz at 7500 resolution. The hardware and software improvements collectively resulted in improved peptide and protein identifications across all comparable conditions, with an increase of up to 50 percent at short LC-MS gradients, yielding identification rates of more than 1000 unique peptides per minute...
January 5, 2018: Journal of Proteome Research
https://www.readbyqxmd.com/read/29161774/building-trophic-specializations-that-result-in-substantial-niche-partitioning-within-a-young-adaptive-radiation
#20
Luz Patricia Hernandez, Dominique Adriaens, Christopher H Martin, Peter C Wainwright, Bert Masschaele, Manuel Dierick
Dietary partitioning often accompanies the increased morphological diversity seen during adaptive radiations within aquatic systems. While such niche partitioning would be expected in older radiations, it is unclear how significant morphological divergence occurs within a shorter time period. Here we show how differential growth in key elements of the feeding mechanism can bring about pronounced functional differences among closely related species. An incredibly young adaptive radiation of three Cyprinodon species residing within hypersaline lakes in San Salvador Island, Bahamas, has recently been described...
February 2018: Journal of Anatomy
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